(2-nitro-5-phenylsulfanyl-4-piperidin-1-yl-phenyl)-piperazin-1-yl-methanone

Systemtic Name: (2-nitro-5-phenylsulfanyl-4-piperidin-1-yl-phenyl)-piperazin-1-yl-methanone Openeye Name: [2-nitro-5-phenylsulfanyl-4-(1-piperidyl)phenyl]-piperazin-1-yl-methanone CAS Name: [2-nitro-5-(phenylthio)-4-(1-piperidinyl)phenyl]-(1-piperazinyl)methanone IUPAC Name: (2-nitro-5-phenylsulfanyl-4-piperidin-1-ylphenyl)-piperazin-1-ylmethanone Traditional Name: [2-nitro-5-(phenylthio)-4-piperidino-phenyl]-piperazino-methanone Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)N3CCNCC3)SC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C(=C2)[N+](=O)[O-])C(=O)N3CCNCC3)SC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O3S/c27-22(25-13-9-23-10-14-25)18-15-21(30-17-7-3-1-4-8-17)20(16-19(18)26(28)29)24-11-5-2-6-12-24/h1,3-4,7-8,15-16,23H,2,5-6,9-14H2